SCHEMBL647310

SCHEMBL647310

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc3ccccc3n2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
PDE10A Q9Y233 3/20 0.46
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
MAPT P10636 1/20 0.42
CDK9 P50750 1/20 0.42
JAK1 P23458 1/20 0.42
HPGD P15428 1/20 0.42
BTK Q06187 2/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 2/20 0.41
ABL1 P00519 1/20 0.40
EPHX2 P34913 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL647311 1.00 NPC1 (0.57) NPC1RAB9APDE10AKDM1AMAOB
SCHEMBL5472161 0.83 NPC1 (0.66) NPC1RAB9APDE10AHPGDKMT2A
SCHEMBL5472154 0.83 NPC1 (0.66) NPC1RAB9APDE10AHPGDKMT2A
SCHEMBL24997350 0.81 CASP3 (0.44) NPC1RAB9AKDM1AMAOBCDK9
SCHEMBL30053761 0.81 CASP3 (0.44) NPC1RAB9AKDM1AMAOBCDK9
SCHEMBL23487783 0.77 CDK9 (0.51) RAB9ACDK9JAK1BTKL3MBTL1
SCHEMBL3899442 0.76 ALDH1A1 (0.55) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL3576223 0.76 KDM4D (0.46) PDE10AKDM1AMAOBJAK1BTK
SCHEMBL3576222 0.76 KDM4D (0.46) PDE10AKDM1AMAOBJAK1BTK
SCHEMBL26015948 0.75 CDK9 (0.48) NPC1RAB9AMAPTCDK9JAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US disclosed
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2013-03-07 US disclosed
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) MADAR DAVID J 2007-11-15 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 US disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 NPC1 647/4885RAB9A 4241/4885PDE10A 1154/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 NPC1 647/4885RAB9A 4241/4885PDE10A 1154/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 NPC1 647/4885RAB9A 4241/4885PDE10A 1154/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 NPC1 637/4885RAB9A 4226/4885PDE10A 1197/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 NPC1 637/4885RAB9A 4226/4885PDE10A 1197/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 NPC1 647/4885RAB9A 4241/4885PDE10A 1154/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.